N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide

C23H20N4O5S — CID 24539531

IUPACN-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1
InChIInChI=1S/C23H20N4O5S/c28-22(26-23-24-18-7-1-2-8-19(18)25-23)15-5-3-6-16(13-15)27-33(29,30)17-9-10-20-21(14-17)32-12-4-11-31-20/h1-3,5-10,13-14,27H,4,11-12H2,(H2,24,25,26,28)
InChIKeyBJSJVRNVOXVOER-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.78
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide

N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide (PubChem CID 24539531) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
PubChem CID24539531
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1
InChIInChI=1S/C23H20N4O5S/c28-22(26-23-24-18-7-1-2-8-19(18)25-23)15-5-3-6-16(13-15)27-33(29,30)17-9-10-20-21(14-17)32-12-4-11-31-20/h1-3,5-10,13-14,27H,4,11-12H2,(H2,24,25,26,28)
InChIKeyBJSJVRNVOXVOER-UHFFFAOYSA-N
XLogP3.78
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3547940
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
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CID 18110210
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-sulfamoylphenyl)benzamide
CID 4844447
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 35033379
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 24536389
N-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)sulfonylamino]benzamide
CID 35808303
N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 35993606
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide (CID 24539531) is N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide is O=C(Nc1nc2ccccc2[nH]1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide?
The InChIKey is BJSJVRNVOXVOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c28-22(26-23-24-18-7-1-2-8-19(18)25-23)15-5-3-6-16(13-15)27-33(29,30)17-9-10-20-21(14-17)32-12-4-11-31-20/h1-3,5-10,13-14,27H,4,11-12H2,(H2,24,25,26,28).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide?
N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide has a molecular weight of 464.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide is sourced from PubChem (CID 24539531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).